CLP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE1 | S1A | sing | 2.25Å | 2.25Å | |
| FE1 | S2A | sing | 2.30Å | 2.30Å | |
| FE1 | S3A | sing | 2.33Å | 2.33Å | |
| FE2 | S1A | sing | 2.28Å | 2.28Å | |
| FE2 | S2A | sing | 2.27Å | 2.27Å | |
| FE2 | S4A | sing | 2.30Å | 2.30Å | |
| FE3 | S2A | sing | 2.30Å | 2.30Å | |
| FE3 | S4A | sing | 2.33Å | 2.33Å | |
| FE3 | S3A | sing | 2.31Å | 2.31Å | |
| FE4 | S1A | sing | 2.28Å | 2.28Å | |
| FE4 | S4A | sing | 2.32Å | 2.32Å | |
| FE4 | S3A | sing | 2.31Å | 2.31Å | |
| S1A | S1B | sing | 2.33Å | 2.33Å | |
| FE5 | S1B | sing | 2.37Å | 2.37Å | |
| FE5 | S2B | sing | 2.30Å | 2.30Å | |
| FE5 | S4B | sing | 2.35Å | 2.35Å | |
| FE6 | S1B | sing | 2.29Å | 2.29Å | |
| FE6 | S2B | sing | 2.30Å | 2.30Å | |
| FE6 | S3B | sing | 2.30Å | 2.30Å | |
| FE7 | S2B | sing | 2.33Å | 2.33Å | |
| FE7 | S3B | sing | 2.34Å | 2.34Å | |
| FE7 | S4B | sing | 2.31Å | 2.31Å | |
| FE8 | S1B | sing | 2.31Å | 2.31Å | |
| FE8 | S3B | sing | 2.27Å | 2.27Å | |
| FE8 | S4B | sing | 2.39Å | 2.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1A | FE1 | S2A | 108.0° | 108.0° |
| S1A | FE1 | S3A | 101.6° | 101.6° |
| FE1 | S1A | FE2 | 71.6° | 71.6° |
| FE1 | S1A | FE4 | 75.9° | 75.9° |
| FE1 | S1A | S1B | 173.5° | 173.5° |
| S2A | FE1 | S3A | 106.3° | 106.3° |
| FE1 | S2A | FE2 | 71.0° | 71.0° |
| FE1 | S2A | FE3 | 70.7° | 70.7° |
| FE1 | S3A | FE3 | 70.0° | 70.0° |
| FE1 | S3A | FE4 | 73.7° | 73.7° |
| S1A | FE2 | S2A | 108.1° | 108.1° |
| S1A | FE2 | S4A | 99.1° | 99.1° |
| FE2 | S1A | FE4 | 78.8° | 78.8° |
| FE2 | S1A | S1B | 114.9° | 114.9° |
| S2A | FE2 | S4A | 101.9° | 101.9° |
| FE2 | S2A | FE3 | 75.8° | 75.8° |
| FE2 | S4A | FE3 | 74.5° | 74.5° |
| FE2 | S4A | FE4 | 77.5° | 77.5° |
| S2A | FE3 | S4A | 100.1° | 100.1° |
| S2A | FE3 | S3A | 107.0° | 107.0° |
| S4A | FE3 | S3A | 109.9° | 109.9° |
| FE3 | S4A | FE4 | 69.1° | 69.1° |
| FE3 | S3A | FE4 | 69.5° | 69.5° |
| S1A | FE4 | S4A | 98.8° | 98.8° |
| S1A | FE4 | S3A | 101.4° | 101.4° |
| FE4 | S1A | S1B | 104.8° | 104.8° |
| S4A | FE4 | S3A | 110.1° | 110.1° |
| S1A | S1B | FE5 | 100.2° | 100.2° |
| S1A | S1B | FE6 | 167.0° | 167.0° |
| S1A | S1B | FE8 | 88.8° | 88.8° |
| S1B | FE5 | S2B | 96.1° | 96.1° |
| S1B | FE5 | S4B | 99.2° | 99.2° |
| FE5 | S1B | FE6 | 79.7° | 79.7° |
| FE5 | S1B | FE8 | 80.2° | 80.2° |
| S2B | FE5 | S4B | 105.2° | 105.2° |
| FE5 | S2B | FE6 | 81.2° | 81.2° |
| FE5 | S2B | FE7 | 73.9° | 73.9° |
| FE5 | S4B | FE7 | 73.3° | 73.3° |
| FE5 | S4B | FE8 | 79.2° | 79.2° |
| S1B | FE6 | S2B | 98.3° | 98.3° |
| S1B | FE6 | S3B | 99.9° | 99.9° |
| FE6 | S1B | FE8 | 78.3° | 78.3° |
| S2B | FE6 | S3B | 108.5° | 108.5° |
| FE6 | S2B | FE7 | 71.7° | 71.7° |
| FE6 | S3B | FE7 | 71.5° | 71.5° |
| FE6 | S3B | FE8 | 79.0° | 79.0° |
| S2B | FE7 | S3B | 106.3° | 106.3° |
| S2B | FE7 | S4B | 105.3° | 105.3° |
| S3B | FE7 | S4B | 102.6° | 102.6° |
| FE7 | S3B | FE8 | 76.2° | 76.2° |
| FE7 | S4B | FE8 | 74.4° | 74.4° |
| S1B | FE8 | S3B | 100.2° | 100.2° |
| S1B | FE8 | S4B | 99.5° | 99.5° |
| S3B | FE8 | S4B | 102.2° | 102.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1A | FE1 | S2A | S3A | 108.4° | 108.4° |
| FE1 | S1A | FE2 | FE4 | 78.7° | 78.7° |
| FE1 | S1A | FE2 | S1B | 179.9° | 179.9° |
| S1A | FE1 | S2A | FE2 | 8.5° | 8.5° |
| FE1 | S1A | FE2 | S4A | 97.2° | 97.2° |
| S1A | FE1 | S2A | FE3 | 89.6° | 89.6° |
| S1A | FE1 | S3A | FE3 | 94.1° | 94.1° |
| FE1 | S1A | FE4 | S1B | 173.3° | 173.3° |
| FE1 | S1A | FE4 | S4A | 92.0° | 92.0° |
| S1A | FE1 | S3A | FE4 | 20.5° | 20.5° |
| FE1 | S1A | S1B | FE5 | 109.2° | 109.2° |
| FE1 | S1A | S1B | FE6 | 162.2° | 162.2° |
| FE1 | S1A | S1B | FE8 | 171.0° | 171.0° |
| FE1 | S2A | FE2 | FE3 | 74.1° | 74.1° |
| FE1 | S2A | FE2 | S4A | 95.4° | 95.4° |
| FE1 | S2A | FE3 | S4A | 95.5° | 95.5° |
| S2A | FE1 | S3A | FE3 | 18.8° | 18.8° |
| S2A | FE1 | S1A | FE4 | 91.1° | 91.1° |
| S2A | FE1 | S3A | FE4 | 92.4° | 92.4° |
| S2A | FE1 | S1A | S1B | 172.2° | 172.2° |
| S3A | FE1 | S1A | FE2 | 103.2° | 103.2° |
| S3A | FE1 | S2A | FE2 | 100.0° | 100.0° |
| FE1 | S3A | FE3 | S4A | 88.9° | 88.9° |
| FE1 | S3A | FE3 | FE4 | 79.5° | 79.5° |
| FE1 | S3A | FE4 | S4A | 83.7° | 83.7° |
| S3A | FE1 | S1A | S1B | 76.2° | 76.2° |
| S1A | FE2 | S2A | S4A | 103.8° | 103.8° |
| S1A | FE2 | S2A | FE3 | 82.5° | 82.5° |
| S1A | FE2 | S4A | FE3 | 89.6° | 89.6° |
| FE2 | S1A | FE4 | S1B | 113.0° | 113.0° |
| S1A | FE2 | S4A | FE4 | 18.2° | 18.2° |
| FE2 | S1A | FE4 | S3A | 94.4° | 94.4° |
| FE2 | S1A | S1B | FE5 | 70.2° | 70.2° |
| FE2 | S1A | S1B | FE6 | 18.4° | 18.4° |
| FE2 | S1A | S1B | FE8 | 9.7° | 9.7° |
| S2A | FE2 | S4A | FE3 | 21.1° | 21.1° |
| FE2 | S2A | FE3 | S3A | 93.6° | 93.6° |
| S2A | FE2 | S1A | FE4 | 87.2° | 87.2° |
| S2A | FE2 | S4A | FE4 | 92.6° | 92.6° |
| S2A | FE2 | S1A | S1B | 171.5° | 171.5° |
| FE2 | S4A | FE3 | FE4 | 82.3° | 82.3° |
| FE2 | S4A | FE3 | S3A | 91.6° | 91.6° |
| FE2 | S4A | FE4 | S3A | 87.4° | 87.4° |
| S4A | FE2 | S1A | S1B | 82.7° | 82.7° |
| S2A | FE3 | S4A | S3A | 112.3° | 112.3° |
| S2A | FE3 | S4A | FE4 | 103.0° | 103.0° |
| S2A | FE3 | S3A | FE4 | 98.4° | 98.4° |
| FE3 | S4A | FE4 | S1A | 96.3° | 96.3° |
| S4A | FE3 | S3A | FE4 | 9.4° | 9.4° |
| FE3 | S3A | FE4 | S1A | 94.4° | 94.4° |
| S1A | FE4 | S4A | S3A | 105.7° | 105.7° |
| FE4 | S1A | S1B | FE5 | 14.1° | 14.1° |
| FE4 | S1A | S1B | FE6 | 102.7° | 102.7° |
| FE4 | S1A | S1B | FE8 | 94.0° | 94.0° |
| S4A | FE4 | S1A | S1B | 94.7° | 94.7° |
| S3A | FE4 | S1A | S1B | 152.5° | 152.5° |
| S1A | S1B | FE5 | FE6 | 166.8° | 166.8° |
| S1A | S1B | FE5 | FE8 | 87.0° | 87.0° |
| S1A | S1B | FE5 | S2B | 177.1° | 177.1° |
| S1A | S1B | FE5 | S4B | 76.4° | 76.4° |
| S1A | S1B | FE6 | FE8 | 8.9° | 8.9° |
| S1A | S1B | FE6 | S2B | 107.2° | 107.2° |
| S1A | S1B | FE6 | S3B | 3.3° | 3.3° |
| S1A | S1B | FE8 | S3B | 165.5° | 165.5° |
| S1A | S1B | FE8 | S4B | 90.1° | 90.1° |
| S1B | FE5 | S2B | S4B | 101.2° | 101.2° |
| FE5 | S1B | FE6 | FE8 | 82.0° | 82.0° |
| S1B | FE5 | S2B | FE6 | 16.1° | 16.1° |
| FE5 | S1B | FE6 | S3B | 94.3° | 94.3° |
| S1B | FE5 | S2B | FE7 | 89.5° | 89.5° |
| S1B | FE5 | S4B | FE7 | 87.0° | 87.0° |
| FE5 | S1B | FE8 | S3B | 93.9° | 93.9° |
| S1B | FE5 | S4B | FE8 | 10.3° | 10.3° |
| FE5 | S2B | FE6 | FE7 | 75.8° | 75.8° |
| FE5 | S2B | FE6 | S3B | 86.7° | 86.7° |
| FE5 | S2B | FE7 | S3B | 96.5° | 96.5° |
| S2B | FE5 | S4B | FE7 | 11.9° | 11.9° |
| S2B | FE5 | S1B | FE8 | 95.9° | 95.9° |
| S2B | FE5 | S4B | FE8 | 88.6° | 88.6° |
| S4B | FE5 | S1B | FE6 | 90.4° | 90.4° |
| S4B | FE5 | S2B | FE6 | 85.2° | 85.2° |
| FE5 | S4B | FE7 | S3B | 99.3° | 99.3° |
| FE5 | S4B | FE7 | FE8 | 83.2° | 83.2° |
| FE5 | S4B | FE8 | S3B | 92.1° | 92.1° |
| S1B | FE6 | S2B | S3B | 103.4° | 103.4° |
| S1B | FE6 | S2B | FE7 | 92.5° | 92.5° |
| S1B | FE6 | S3B | FE7 | 91.4° | 91.4° |
| S1B | FE6 | S3B | FE8 | 12.5° | 12.5° |
| FE6 | S1B | FE8 | S4B | 91.9° | 91.9° |
| S2B | FE6 | S3B | FE7 | 10.8° | 10.8° |
| FE6 | S2B | FE7 | S4B | 97.8° | 97.8° |
| S2B | FE6 | S1B | FE8 | 98.3° | 98.3° |
| S2B | FE6 | S3B | FE8 | 89.8° | 89.8° |
| FE6 | S3B | FE7 | FE8 | 82.8° | 82.8° |
| FE6 | S3B | FE7 | S4B | 99.7° | 99.7° |
| FE6 | S3B | FE8 | S4B | 89.8° | 89.8° |
| S2B | FE7 | S3B | S4B | 110.3° | 110.3° |
| S2B | FE7 | S3B | FE8 | 93.3° | 93.3° |
| S2B | FE7 | S4B | FE8 | 94.9° | 94.9° |
| FE7 | S3B | FE8 | S1B | 85.8° | 85.8° |
| S3B | FE7 | S4B | FE8 | 16.2° | 16.2° |
| FE7 | S4B | FE8 | S1B | 86.1° | 86.1° |
| S1B | FE8 | S3B | S4B | 102.2° | 102.2° |
